2-[(4-phenyltriazol-1-yl)methyl]quinoline

C18H14N4 — CID 56594561

IUPAC2-[(4-phenyltriazol-1-yl)methyl]quinoline
SMILESc1ccc(-c2cn(Cc3ccc4ccccc4n3)nn2)cc1
InChIInChI=1S/C18H14N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)12-16-11-10-15-8-4-5-9-17(15)19-16/h1-11,13H,12H2
InChIKeyPWOLGIHKOYLSIO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.54
Rot. Bonds3

About 2-[(4-phenyltriazol-1-yl)methyl]quinoline

2-[(4-phenyltriazol-1-yl)methyl]quinoline (PubChem CID 56594561) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(4-phenyltriazol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(4-phenyltriazol-1-yl)methyl]quinoline
PubChem CID56594561
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-[(4-phenyltriazol-1-yl)methyl]quinoline
SMILESc1ccc(-c2cn(Cc3ccc4ccccc4n3)nn2)cc1
InChIInChI=1S/C18H14N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)12-16-11-10-15-8-4-5-9-17(15)19-16/h1-11,13H,12H2
InChIKeyPWOLGIHKOYLSIO-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyltriazol-1-yl)methyl]quinoline?
The IUPAC name of 2-[(4-phenyltriazol-1-yl)methyl]quinoline (CID 56594561) is 2-[(4-phenyltriazol-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(4-phenyltriazol-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(4-phenyltriazol-1-yl)methyl]quinoline is c1ccc(-c2cn(Cc3ccc4ccccc4n3)nn2)cc1.
What is the InChIKey of 2-[(4-phenyltriazol-1-yl)methyl]quinoline?
The InChIKey is PWOLGIHKOYLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)12-16-11-10-15-8-4-5-9-17(15)19-16/h1-11,13H,12H2.
What are the key properties of 2-[(4-phenyltriazol-1-yl)methyl]quinoline?
2-[(4-phenyltriazol-1-yl)methyl]quinoline has a molecular weight of 286.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyltriazol-1-yl)methyl]quinoline is sourced from PubChem (CID 56594561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).